Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.54 |
| ▸ | HTR3B | O95264 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.54 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | FADS1 | O60427 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 4/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3956336 | 0.80 | HTR3E (0.57) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL4238979 | 0.80 | AURKA (0.67) | AURKATHRBMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1518750 | 0.79 | AURKA (0.65) | AURKATHRBMAPTKIF11EGFR | |
| SCHEMBL3206970 | 0.78 | AURKA (0.70) | AURKAHTR3EHTR3BHTR3AROCK1 | |
| SCHEMBL20172492 | 0.78 | KIF11 (0.66) | AURKATHRBMEN1KMT2AKIF11 | |
| SCHEMBL3951446 | 0.77 | HTR3E (0.57) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL30643204 | 0.77 | GRM5 (0.62) | AURKAMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL30847438 | 0.77 | AURKA (0.62) | AURKATHRBMEN1ALDH1A1CYP1A2 | |
| SCHEMBL27112491 | 0.77 | AURKA (0.62) | AURKATHRBMEN1ALDH1A1CYP1A2 | |
| SCHEMBL4737841 | 0.76 | GAK (0.69) | FADS1EGFR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |